N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide

C6H10N2 — CID 89357801

IUPACN'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
SMILESC/C=C\C=C/N=C/N
InChIInChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8)/b3-2-,5-4-
InChIKeyHMEVBUMIJRXWCM-LDIADDGTSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide

N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide (PubChem CID 89357801) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
PubChem CID89357801
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
SMILESC/C=C\C=C/N=C/N
InChIInChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8)/b3-2-,5-4-
InChIKeyHMEVBUMIJRXWCM-LDIADDGTSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
(4E)-hexa-2,4-diene
CID 22435466
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
CID 144631744
[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 143919321
methyl-[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 131966590
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
potassium;hexa-2,4-diene;hydride
CID 174550949
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
N'-(3-methoxyprop-1-enyl)methanimidamide
CID 123948301

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide (CID 89357801) is N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide is C/C=C\C=C/N=C/N.
What is the InChIKey of N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The InChIKey is HMEVBUMIJRXWCM-LDIADDGTSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8)/b3-2-,5-4-.
What are the key properties of N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 89357801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).